693792-99-3 Purity
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The molecular formula is C8H11BO3.
The synonyms include (3-Methoxy-5-methylphenyl)boronic acid, 3-METHOXY-5-METHYLPHENYLBORONIC ACID, Boronic acid, (3-methoxy-5-methylphenyl)-.
The molecular weight is 165.98 g/mol.
The IUPAC name is (3-methoxy-5-methylphenyl)boronic acid.
The InChI is InChI=1S/C8H11BO3/c1-6-3-7(9(10)11)5-8(4-6)12-2/h3-5,10-11H,1-2H3.
The InChIKey is DJBDBFHWWWCNER-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC(=C1)OC)C)(O)O.
The CAS number is 725251-81-0.
The hydrogen bond donor count is 2.
Yes, it is a canonicalized compound.